CABS-dock: lepto2

Project name: lepto2

Status: done

submitted: 2026-03-13 09:10:25, status changed: 2026-03-13 19:09:13

Project settings

Protein sequence(s)	GEVASVPLTNYLDSQYFGKIYLGTPPQEFTVLFDTGSSDFWVPSIYCKSNACKNHQRFDPRKSSTFQNLGKPLSIHYGTGSMQGILGYDTVTVSNIVDIQQTVGLSTQEPGDVFTYAEFDGILGMAYPSLASEYSIPVFDNMMNRHLVAQDLFSVYMDRNGQESMLTLGAINPSYYTGSLHWVPVTVQQYWQFTVDSVTISGVVVACEGGCQAILDTGTSKLVGPSSDILNIQQAIGATQNQYGEFDIDCDNLSYMPTVVFEINGKMYPLTPSAYTSQDQGFCTSGFQSENHSQKWILGDVFIREYYSVFDRANNLVGLAKAI input pdb
Peptide sequence	HRPHLHPSFTAIPAKK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCC

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Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in JSmol (pure html5/js) if you got rendering problems.

Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).

Representative conformations

	model_1		Download
	model_2		Download
	model_3		Download
	model_4		Download
	model_5		Download
	model_6		Download
	model_7		Download
	model_8		Download
	model_9		Download
	model_10		Download

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Click the "View" button to load the contact map of appropriate model.

Representative conformations

Contact cutoff (Å)

	model_1	View
	model_2	View
	model_3	View
	model_4	View
	model_5	View
	model_6	View
	model_7	View
	model_8	View
	model_9	View
	model_10	View

Receptor residue	Peptide residue

Receptor residue	Peptide residue

Receptor residue	Peptide residue

Select trajectory from the right panel to display animation in JSmol. Note that it may hangs browser window for few minutes or ever.

Trajectories

	replica_1		Download
	replica_2		Download
	replica_3		Download
	replica_4		Download
	replica_5		Download
	replica_6		Download
	replica_7		Download
	replica_8		Download
	replica_9		Download
	replica_10		Download

Selected model: model_1.pdb (most representative model of the best cluster) download the model

Details about clusters

cluster name	cluster density	average rmsd	max rmsd	number of elements
cluster_1.pdb ( medoid)	45.1068	4.94382	32.871	223
cluster_2.pdb ( medoid)	26.5028	4.22597	9.46248	112
cluster_3.pdb ( medoid)	21.5873	8.19927	23.1265	177
cluster_4.pdb ( medoid)	12.8262	6.0813	25.0198	78
cluster_5.pdb ( medoid)	12.4928	6.64381	18.622	83
cluster_6.pdb ( medoid)	11.9563	7.36013	39.7375	88
cluster_7.pdb ( medoid)	7.01391	8.55443	18.2166	60
cluster_8.pdb ( medoid)	5.47116	7.8594	17.8273	43
cluster_9.pdb ( medoid)	5.37635	15.438	37.4282	83
cluster_10.pdb ( medoid)	2.94579	17.9918	42.4962	53